6-hydroxy-3-methyl-5-[2-(naphthalen-1-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-3-methyl-5-[2-(naphthalen-1-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-3-methyl-5-[2-(naphthalen-1-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2398 |
| Compound Name: | 6-hydroxy-3-methyl-5-[2-(naphthalen-1-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C24 H19 N3 O2 S2 |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2cccc3ccccc23)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0298 |
| logD: | -1.0919 |
| logSw: | -4.007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.874 |
| InChI Key: | ICECQTJDOWHSJP-FQEVSTJZSA-N |